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2,7-Bis(benzylthio)-9,10-dimethyl-4,5-diphenyl-4a,4b,9,10-tetrahydro-1,3,6,8,8a,10a-hexaaza-phenanthrene

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2,7-Bis(benzylthio)-9,10-dimethyl-4,5-diphenyl-4a,4b,9,10-tetrahydro-1,3,6,8,8a,10a-hexaaza-phenanthrene
SpectraBase Compound ID Cic8WjMVLbJ
InChI InChI=1S/C36H34N6S2/c1-25-26(2)42-34(32(30-21-13-6-14-22-30)38-36(40-42)44-24-28-17-9-4-10-18-28)33-31(29-19-11-5-12-20-29)37-35(39-41(25)33)43-23-27-15-7-3-8-16-27/h3-22,25-26,33-34H,23-24H2,1-2H3
InChIKey VENYKOUQEQHKMF-UHFFFAOYSA-N
Mol Weight 614.8 g/mol
Molecular Formula C36H34N6S2
Exact Mass 614.228637 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ACivyItPfLP
Name 9,10-DIMETHYL-2,7-DI(BENZYLTHIO)-4,5-DIPHENYL-4A,4B,8,10,11,12-HEXAHYDRO-1,3,6,8,9,12-HEXAAZAPHENANTHRENE
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C36H34N6S2
InChI InChI=1S/C36H34N6S2/c1-25-26(2)42-34(32(30-21-13-6-14-22-30)38-36(40-42)44-24-28-17-9-4-10-18-28)33-31(29-19-11-5-12-20-29)37-35(39-41(25)33)43-23-27-15-7-3-8-16-27/h3-22,25-26,33-34H,23-24H2,1-2H3
InChIKey VENYKOUQEQHKMF-UHFFFAOYSA-N
Instrument Name Varian XL-400
Literature Reference B.V.RUDAKOV, S.G.ALEKSEEV, V.N.CHARUSHIN, O.N.CHUPAKHIN, V.A.CHERTKOV,G.G.ALEKSANDROV, E.S.KLIMOV (1992) Zhurn.Org.Khim.(Russ. Lang.): v.28, N3, 589-599.
NMR Standard CDCL3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3 chloroform-d